1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide

C24H21F5N4O3S — CID 139563885

IUPAC1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
SMILESCC1CCC(C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H21F5N4O3S/c1-14-2-8-21(33(14)37(35,36)18-6-4-17(25)5-7-18)23(34)32-12-16-10-20(30-13-19(16)26)15-3-9-22(31-11-15)24(27,28)29/h3-7,9-11,13-14,21H,2,8,12H2,1H3,(H,32,34)
InChIKeyPDQRWAMKQKRCKZ-UHFFFAOYSA-N
MW540.51 g/mol
LogP4.30
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide (PubChem CID 139563885) has the molecular formula C24H21F5N4O3S and a molecular weight of 540.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
PubChem CID139563885
Molecular FormulaC24H21F5N4O3S
Molecular Weight540.51 g/mol
Exact Mass540.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
SMILESCC1CCC(C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H21F5N4O3S/c1-14-2-8-21(33(14)37(35,36)18-6-4-17(25)5-7-18)23(34)32-12-16-10-20(30-13-19(16)26)15-3-9-22(31-11-15)24(27,28)29/h3-7,9-11,13-14,21H,2,8,12H2,1H3,(H,32,34)
InChIKeyPDQRWAMKQKRCKZ-UHFFFAOYSA-N
XLogP4.30
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide (CID 139563885) is 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide is CC1CCC(C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The InChIKey is PDQRWAMKQKRCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O3S/c1-14-2-8-21(33(14)37(35,36)18-6-4-17(25)5-7-18)23(34)32-12-16-10-20(30-13-19(16)26)15-3-9-22(31-11-15)24(27,28)29/h3-7,9-11,13-14,21H,2,8,12H2,1H3,(H,32,34).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide has a molecular weight of 540.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 139563885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).